
 CHEMBL2369973

195202  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2369973

>  <PubChem CID>
73354517

>  <Formula>
C73H86IN19O16

>  <Molecular Weight>
1612.512000

>  <IUPAC Name>


>  <XlogP>
-2.1

>  <Hydrogen Bond Donors>
19

>  <Hydrogen Bond Acceptors>
19

>  <Canonical SMILES>
CC1C(=O)NC(C(=O)NC(N(C(=O)CC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)N)CC2=CNC3=CC=CC=C32)CCCN=C(N)N)CC4=CC=C(C=C4)I)CC5=CNC=N5)NC(=O)C(CC6=CC=C(C=C6)O)N)C(CC7=CC=C(C=C7)O)C(=O)N)(C)C(=O)O)CC8=CC=CC=C8

>  <Isomeric SMILES>
C[C@H]1C(=O)N[C@H](C(=O)N[C@](N(C(=O)C[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)CC2=CNC3=CC=CC=C32)CCCN=C(N)N)CC4=CC=C(C=C4)I)CC5=CNC=N5)NC(=O)[C@H](CC6=CC=C(C=C6)O)N)[C@@H](CC7=CC=C(C=C7)O)C(=O)N)(C)C(=O)O)CC8=CC=CC=C8

>  <InChI Std. ID>
InChI=1S/C73H86IN19O16/c1-38-62(99)86-53(28-39-9-4-3-5-10-39)70(107)92-73(2,71(108)109)93(58(61(77)98)30-42-18-24-47(95)25-19-42)60(97)34-57(87-63(100)49(75)27-40-16-22-46(94)23-17-40)69(106)90-55(32-45-36-80-37-83-45)68(105)88-52(29-41-14-20-44(74)21-15-41)66(103)85-51(13-8-26-81-72(78)79)64(101)89-54(31-43-35-82-50-12-7-6-11-48(43)50)67(104)91-56(33-59(76)96)65(102)84-38/h3-7,9-12,14-25,35-38,49,51-58,82,94-95H,8,13,26-34,75H2,1-2H3,(H2,76,96)(H2,77,98)(H,80,83)(H,84,102)(H,85,103)(H,86,99)(H,87,100)(H,88,105)(H,89,101)(H,90,106)(H,91,104)(H,92,107)(H,108,109)(H4,78,79,81)/t38-,49-,51-,52+,53-,54-,55-,56-,57-,58-,73-/m0/s1

>  <InChI Key>
CNIUCUZOXJJMCC-GQGJGNRXSA-N

